2-Fluorobenzyl alcohol(446-51-5) 13C NMR
Product Name2-Fluorobenzyl alcohol
CAS446-51-5
Molecular FormulaC7H7FO
Molecular Weight126.13
InChIInChI=1S/C7H7FO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
InChIKey QEHXDOJPVIHUDO-UHFFFAOYSA-N
SmilesC1(CO)=CC=CC=C1F
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MassMS-NW-5493 o-fluorobenzyl alcohol C7H7FO (Mass of molecular ion: 126)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 2.9 28.0 2.1 29.0 5.9 31.0 6.5 37.0 2.2 38.0 3.3 39.0 7.0 49.0 1.5 50.0 11.0 51.0 19.4 52.0 3.3 53.0 2.6 56.0 1.2 57.0 6.7 59.0 1.3 61.0 2.3 62.0 3.8 62.5 3.5 63.0 5.7 68.0 2.8 69.0 4.1 70.0 5.4 71.0 1.1 73.0 1.0 74.0 4.6 75.0 11.4 76.0 3.2 77.0 45.2 78.0 9.2 79.0 5.3 81.0 3.0 82.0 1.0 83.0 10.4 89.0 1.6 94.0 1.8 95.0 17.5 96.0 11.4 97.0 77.4 98.0 6.5 105.0 60.9 106.0 11.5 107.0 9.4 108.0 5.7 109.0 27.9 110.0 2.9 123.0 6.4 124.0 1.2 125.0 52.8 126.0 100.0 127.0 7.7
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C7 H7 F O 0.04 ml : 0.5 ml CDCl3 o-fluorobenzyl alcohol 
Assign. Shift(ppm)
A 7.52 to 6.88 B 4.695 C 2.46
Hz ppm Int.667.75 7.456 42 662.44 7.397 59 661.75 7.389 61 660.88 7.380 67 660.19 7.372 97 659.56 7.365 69 656.31 7.329 40 655.81 7.323 56 655.25 7.317 37 654.19 7.305 93 653.38 7.296 93 652.75 7.289 78 650.38 7.262 37 649.13 7.248 66 648.50 7.241 77 646.81 7.223 121 644.50 7.197 63 643.00 7.180 94 642.19 7.171 144 641.63 7.165 131 640.56 7.153 142 639.19 7.138 66 637.13 7.115 85 636.00 7.102 168 635.31 7.094 148 634.25 7.082 85 629.38 7.028 63 626.88 7.000 125 624.75 6.976 89 617.81 6.899 30 617.50 6.895 31 420.50 4.696 440 220.56 2.463 1000
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1H NMR 399.65 MHz C7 H7 F O 0.05 ml : 0.5 ml CDCl3 o-fluorobenzyl alcohol Assign. Shift(ppm)
A 7.327 B 7.203 C 7.064 D 6.975 E 4.618 F 3.47
Hz ppm Int.2936.77 7.349 140 2936.04 7.347 126 2935.30 7.345 146 2934.94 7.344 143 2929.57 7.331 264 2929.20 7.330 264 2928.47 7.328 234 2927.73 7.326 273 2927.37 7.325 263 2924.32 7.318 31 2921.75 7.311 147 2920.90 7.309 126 2920.17 7.307 150 2890.87 7.234 94 2889.04 7.229 94 2883.42 7.215 192 2881.59 7.211 143 2881.23 7.210 140 2878.05 7.202 148 2877.69 7.201 150 2876.83 7.199 128 2875.37 7.195 202 2873.41 7.190 123 2869.87 7.181 126 2868.04 7.177 111 2830.69 7.083 258 2829.47 7.080 273 2823.24 7.065 386 2822.02 7.062 400 2818.97 7.054 31 2817.87 7.051 32 2815.67 7.046 176 2814.45 7.043 175 2796.39 6.998 226 2795.41 6.995 216 2788.21 6.977 201 2786.38 6.973 252 2785.16 6.969 217 2777.95 6.951 175 2776.98 6.949 171 1861.57 4.659 30 1860.11 4.655 34 1858.28 4.650 40 1856.32 4.645 47 1855.22 4.643 52 1854.37 4.640 55 1845.58 4.618 1000 1385.25 3.467 100
in CDCl3
liquid film
